1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium

C24H43O4Si3Y- — CID 58297995

IUPAC1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium
SMILESCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCC(=O)c1c[c-]cc(C(C)=O)c1.[Y]
InChIInChI=1S/C24H43O4Si3.Y/c1-9-10-12-18-29(3,4)27-31(7,8)28-30(5,6)19-13-11-17-24(26)23-16-14-15-22(20-23)21(2)25;/h15-16,20H,9-13,17-19H2,1-8H3;/q-1;
InChIKeyOUIKTIVBUVFOBJ-UHFFFAOYSA-N
MW568.77 g/mol
LogP7.38
Rot. Bonds15

About 1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium

1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium (PubChem CID 58297995) has the molecular formula C24H43O4Si3Y- and a molecular weight of 568.77 g/mol. Its IUPAC name is 1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium.

Molecular Properties

Compound Name1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium
PubChem CID58297995
Molecular FormulaC24H43O4Si3Y-
Molecular Weight568.77 g/mol
Exact Mass568.15
IUPAC Name1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium
SMILESCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCC(=O)c1c[c-]cc(C(C)=O)c1.[Y]
InChIInChI=1S/C24H43O4Si3.Y/c1-9-10-12-18-29(3,4)27-31(7,8)28-30(5,6)19-13-11-17-24(26)23-16-14-15-22(20-23)21(2)25;/h15-16,20H,9-13,17-19H2,1-8H3;/q-1;
InChIKeyOUIKTIVBUVFOBJ-UHFFFAOYSA-N
XLogP7.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.77
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(1-Trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one
CID 102200919
(7E)-9-[tert-butyl(dimethyl)silyl]oxy-2,11-dimethyldodeca-1,7,9,10-tetraen-3-one
CID 135049523
2-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-one
CID 18414967
2-(2-Trimethylsilylethenyl)cyclohex-2-en-1-one
CID 57267262
(4R)-4-[tert-butyl(dimethyl)silyl]-5,6-di(propan-2-ylidene)cyclohex-2-en-1-one
CID 88429337
(4E)-4-heptylidene-2,3-bis(trimethylsilyl)cyclopent-2-en-1-one
CID 15542563
2,5-Bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione
CID 101392897
2,5-Bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione
CID 101392899
2-[(E)-(4-oxo-3-tributylstannylcyclopent-2-en-1-ylidene)-trimethylsilylmethyl]cyclohex-2-en-1-one
CID 177575631

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium?
The IUPAC name of 1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium (CID 58297995) is 1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium.
What is the SMILES notation for 1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium?
The canonical SMILES for 1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium is CCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCC(=O)c1c[c-]cc(C(C)=O)c1.[Y].
What is the InChIKey of 1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium?
The InChIKey is OUIKTIVBUVFOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43O4Si3.Y/c1-9-10-12-18-29(3,4)27-31(7,8)28-30(5,6)19-13-11-17-24(26)23-16-14-15-22(20-23)21(2)25;/h15-16,20H,9-13,17-19H2,1-8H3;/q-1;.
What are the key properties of 1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium?
1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium has a molecular weight of 568.77 g/mol, XLogP of 7.38, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylbenzene-5-id-1-yl)-5-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]pentan-1-one;yttrium is sourced from PubChem (CID 58297995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).